CID 34942

30355-60-3

Structural Information

Molecular Formula

C₁₀H₁₀ClN₅

SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl

InChI

InChI=1S/C10H10ClN5/c11-6-8-14-9(12)16-10(15-8)13-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16)

InChIKey

ZEXYPLRLARKYLF-UHFFFAOYSA-N

Compound name

6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 86
Patents: 235.06247 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.06975	149.2
[M+Na]+	258.05169	163.9
[M+NH4]+	253.09629	157.0
[M+K]+	274.02563	156.4
[M-H]-	234.05519	153.2
[M+Na-2H]-	256.03714	159.0
[M]+	235.06192	152.6
[M]-	235.06302	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe